%chk=000218901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218901

0 1
S -6.309444 0.106929 -1.591449
O -0.014739 -1.040756 0.297185
N -4.719733 -0.147386 0.557377
N 1.764635 0.449116 -0.027632
C -5.776893 0.846108 0.924225
C -3.410866 0.504067 0.223056
C -5.243309 -0.983661 -0.534327
C -6.474721 1.404762 -0.321606
C -2.290663 -0.531747 0.403082
C -0.926002 0.115942 0.203636
C 1.317430 -0.797192 0.173031
C 4.040902 -0.487209 -0.056692
C 3.143159 0.616516 -0.145463
C 2.146086 -1.972212 0.276371
C 3.496536 -1.797390 0.159611
C 5.440536 -0.248325 -0.185789
C 3.655846 1.935615 -0.360975
C 5.912658 1.025774 -0.392299
C 5.010187 2.125185 -0.480273
H -3.388387 0.929469 -0.804456
H -3.247583 1.353377 0.922732
H -5.346440 1.655822 1.548102
H -6.509288 0.309636 1.572201
H -4.455614 -1.444731 -1.158026
H -5.875473 -1.790609 -0.108442
H -7.542656 1.615939 -0.144311
H -6.007479 2.334594 -0.687584
H -2.354300 -0.994523 1.411101
H -2.412048 -1.377753 -0.303920
H -0.653322 0.834177 0.995008
H -0.791082 0.577319 -0.789336
H 1.674874 -2.937207 0.440848
H 4.180596 -2.644830 0.228266
H 6.124695 -1.093547 -0.117604
H 2.947642 2.761953 -0.425274
H 6.979576 1.215885 -0.491870
H 5.417685 3.122995 -0.644806


%chk=000218901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218901

0 1
S -6.063544 0.447024 -1.847366
O 0.014427 -1.229380 0.439937
N -4.801143 -0.177927 0.545315
N 1.730440 0.335766 0.006974
C -5.829750 0.832380 0.893611
C -3.429104 0.381178 0.370784
C -5.306243 -0.908373 -0.591823
C -6.208858 1.651883 -0.389280
C -2.341600 -0.704441 0.506030
C -0.946701 -0.103510 0.319185
C 1.358277 -0.922655 0.265393
C 4.083500 -0.459450 -0.067651
C 3.088479 0.588380 -0.163617
C 2.262349 -2.035976 0.383279
C 3.618992 -1.792045 0.214919
C 5.463065 -0.135448 -0.254552
C 3.510970 1.924597 -0.443071
C 5.852493 1.180240 -0.527815
C 4.868781 2.213554 -0.621872
H -3.330876 0.896796 -0.613759
H -3.281589 1.142232 1.160053
H -5.461868 1.487788 1.701382
H -6.727622 0.300590 1.258184
H -4.528984 -1.466706 -1.129846
H -6.151880 -1.555159 -0.317721
H -7.242201 2.029049 -0.334513
H -5.514738 2.491586 -0.557323
H -2.421308 -1.180396 1.499573
H -2.488958 -1.499167 -0.249150
H -0.706201 0.654868 1.088262
H -0.820814 0.370263 -0.672610
H 1.860294 -3.028803 0.598120
H 4.344264 -2.609849 0.295235
H 6.212731 -0.932874 -0.181242
H 2.743104 2.701395 -0.511907
H 6.910689 1.423951 -0.670831
H 5.184130 3.240740 -0.836586


